Cholesteryl Nervonate
[CAS 60758-73-8]

Identification

• Name: Cholesteryl Nervonate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (E)-Tetracos-15-Enoate; (E)-Tetracos-15-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Cholest-5-En-3-Ol (3Beta)-, 15-Tetracosenoate, (Z)-
• Molecular Formula: C₅₁H₉₀O₂
• Molecular Weight: 735.27
• CAS Registry Number: 60758-73-8
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCCCCCCCCCCC\C=C\CCCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C51H90O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h14-15,32,41-42,44-48H,7-13,16-31,33-40H2,1-6H3/b15-14+/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1
• InChIKey: PUKCXSHDVCMMAN-ATRPORLUSA-N

Properties

• Density: 0.948g/cm³ (Cal.)
• Boiling point: 729.184°C at 760 mmHg (Cal.)
• Flash point: 396.516°C (Cal.)